[gmx-users] do_dssp

Lars Schaefer Lars.Schaefer at mpi-bpc.mpg.de
Thu Jun 3 13:46:10 CEST 2004


I think you told do_dssp to use itself. The DSSP environment variable 
should point to the dssp executable, not the do_dssp.

Cheers, Lars

Raghunadha Reddy Burri wrote:

>Dear gmx-users,
>While I am using gromacs 3.2.1, 
>I have problem in do_dssp, for first time dssp that asking for PATH then I 
>used setenv
>setenv DSSP /usr/local/software/gromacs-3.2.1/i686-pc-linux-gnu/bin
>next time that going to endless loop, like 
>Selected 0: 'System'
>There are 18 residues in your selected group
>Opening library file /usr/local/software/gromacs-3.2.1/share/top/ss.map
>Reading frame       0 time    0.000
>Back Off! I just backed up dd3kCOpw to ./#dd3kCOpw.1#
>Their is any problem in output file or some where else!!
>please give me suggestions to over come this problem
>Thank you for your time and consideration
>Till Then
>gmx-users mailing list
>gmx-users at gromacs.org
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Lars Schäfer
MPI for biophysical Chemistry
Theoretical and computational Biophysics group
Department 070
Am Fassberg 11, D-37077 Goettingen
Tel: 0049 551 201-2305, Fax: 0049 551 201-2302
E-Mail: Lars.Schaefer at mpi-bpc.mpg.de
Home: http://wwwuser.gwdg.de/~lschaef2/homepage.html

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